Molecular properties
- Formula
- C16H23N
- Molar mass
- 229.37 g·mol−1
- Exact mass
- 229.1830 Da
- 6
- PubChem CID
- 10633183
Molecule record
4-nonylbenzonitrile
C16H23N
229.37 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Aromatic ring
Nitrile
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- SCHEMBL22265340
Structure identifiers
- Canonical SMILES
- CCCCCCCCCc1ccc(C#N)cc1
- Isomeric SMILES
- CCCCCCCCCC1=CC=C(C=C1)C#N
- InChI
- InChI=1S/C16H23N/c1-2-3-4-5-6-7-8-9-15-10-12-16(14-17)13-11-15/h10-13H,2-9H2,1H3
- InChIKey
- JURLKGMTZRDTIP-UHFFFAOYSA-N
- PubChem CID
- 10633183
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for 4-nonylbenzonitrile; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 4-nonylbenzonitrile; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.